2-[[4-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine

C17H27NO — CID 79338904

IUPAC2-[[4-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCOCc1ccc(C=C(CNC(C)C)C(C)C)cc1
InChIInChI=1S/C17H27NO/c1-13(2)17(11-18-14(3)4)10-15-6-8-16(9-7-15)12-19-5/h6-10,13-14,18H,11-12H2,1-5H3
InChIKeyAUBSXLRKKKRFOR-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.87
Rot. Bonds7

About 2-[[4-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine

2-[[4-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 79338904) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[[4-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[[4-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID79338904
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[[4-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCOCc1ccc(C=C(CNC(C)C)C(C)C)cc1
InChIInChI=1S/C17H27NO/c1-13(2)17(11-18-14(3)4)10-15-6-8-16(9-7-15)12-19-5/h6-10,13-14,18H,11-12H2,1-5H3
InChIKeyAUBSXLRKKKRFOR-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[4-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[4-(methoxymethyl)phenyl]methylidene]-3-methylbutyl]cyclopropanamine
CID 79338561
2-[(4-chlorophenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79338727
2-[[2-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79338998
2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79339633
(Z)-4-[4-(methoxymethyl)phenyl]-3-methylbut-3-en-2-ol
CID 103091036
(E)-4-[4-(methoxymethyl)phenyl]-N,3-dimethylbut-3-en-2-amine
CID 103093159
3-methyl-2-(naphthalen-2-ylmethylidene)-N-propan-2-ylbutan-1-amine
CID 79339001
2-[4-(methoxymethyl)phenyl]-N-propan-2-ylpropan-1-amine
CID 105349131
2-[(4-imidazol-1-ylphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79342203
2-hydroxy-3-[4-(methoxymethyl)phenyl]prop-2-enoic acid
CID 175687235
1-(methoxymethyl)-4-(2-nitroprop-1-enyl)benzene
CID 77098903
2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339393

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[[4-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine (CID 79338904) is 2-[[4-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[[4-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[[4-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine is COCc1ccc(C=C(CNC(C)C)C(C)C)cc1.
What is the InChIKey of 2-[[4-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is AUBSXLRKKKRFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)17(11-18-14(3)4)10-15-6-8-16(9-7-15)12-19-5/h6-10,13-14,18H,11-12H2,1-5H3.
What are the key properties of 2-[[4-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine?
2-[[4-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 79338904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).